1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine

C18H18F3N5O — CID 162655910

IUPAC1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)27-13-3-1-2-11(10-13)16-24-14-4-7-23-17(15(14)25-16)26-8-5-12(22)6-9-26/h1-4,7,10,12H,5-6,8-9,22H2,(H,24,25)
InChIKeySJPBILUWVHAPJN-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.45
Rot. Bonds3

About 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine

1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine (PubChem CID 162655910) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine
PubChem CID162655910
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine
SMILESNC1CCN(c2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)27-13-3-1-2-11(10-13)16-24-14-4-7-23-17(15(14)25-16)26-8-5-12(22)6-9-26/h1-4,7,10,12H,5-6,8-9,22H2,(H,24,25)
InChIKeySJPBILUWVHAPJN-UHFFFAOYSA-N
XLogP3.45
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine (CID 162655910) is 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine is NC1CCN(c2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1.
What is the InChIKey of 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine?
The InChIKey is SJPBILUWVHAPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-18(20,21)27-13-3-1-2-11(10-13)16-24-14-4-7-23-17(15(14)25-16)26-8-5-12(22)6-9-26/h1-4,7,10,12H,5-6,8-9,22H2,(H,24,25).
What are the key properties of 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine?
1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine has a molecular weight of 377.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-amine is sourced from PubChem (CID 162655910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).